SCHEMBL19252974

SCHEMBL19252974

CC(Nc1ncnc(N)c1C#N)C1=Cc2ccncc2S(=O)(=O)N1c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 19/20 0.63
PIK3R1 P27986 17/20 0.63
PIK3CG P48736 9/20 0.54
PIK3CB P42338 8/20 0.54
PIK3CA P42336 7/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19251430 0.86 PIK3CD (0.61) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL19254014 0.86 PIK3CD (0.61) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL19252666 0.85 PIK3CD (0.66) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL19252624 0.84 PIK3R1 (0.82) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL19251487 0.84 PIK3R1 (0.82) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL19252982 0.83 PIK3R1 (0.61) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL19251417 0.82 PIK3R1 (0.63) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL19252668 0.82 PIK3R1 (0.63) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL19251444 0.81 PIK3CD (0.72) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA
SCHEMBL19254020 0.81 PIK3CD (0.72) PIK3CDPIK3R1PIK3CGPIK3CBPIK3CA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017133655-A1 BENZOTHIAZINE AND BENZOTHIADIAZINE COMPOUNDS AND PREPARATION AND USE 浙江大学 2017-08-10 WO disclosed